SCHEMBL2850779

SCHEMBL2850779

CCC[C@@H](C(=O)N[C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]21)N(C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.58
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX2 P34913 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16497794 1.00 CACNA1B (0.58) CACNA1BTSHRMAPTTP53KMT2A
SCHEMBL67517 0.91 CACNA1B (0.61) CACNA1BTSHRMAPTTDP1
SCHEMBL67516 0.91 CACNA1B (0.61) CACNA1BTSHRMAPTTDP1
SCHEMBL16497943 0.90 CACNA1B (0.72) CACNA1B
SCHEMBL16497942 0.90 CACNA1B (0.72) CACNA1B
SCHEMBL65294 0.90 CACNA1B (0.72) CACNA1B
SCHEMBL65295 0.90 CACNA1B (0.72) CACNA1B
SCHEMBL66808 0.90 CACNA1B (0.55) CACNA1BTSHRMAPTKMT2ATDP1
SCHEMBL65582 0.89 CACNA1B (0.53) CACNA1BEPHX2
SCHEMBL65583 0.89 CACNA1B (0.53) CACNA1BEPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885TSHR 1768/4885MAPT 1184/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.